MolNFT v1 · #19671 · protein
Human mitochondrial NAD(P)-dependent malic enzyme
1QR6 · Malic enzyme 2: “Human mitochondrial NAD(P)-dependent malic enzyme”. X-ray diffraction, 1 ligand (NAD), 17 pockets (best druggability 0.86). MolNFT v1 #19671 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1QR6
- Type
- protein
- Length
- 1,102 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Malic enzyme 2
- EC
- 1.1.1.39
- UniProt
- P23368
- Ligands
- NAD
- Pockets
- 17 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Malic enzyme 2 (EC 1.1.1.39) | protein | 551 | 47% helix, 10% strand | P23368 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 656 | 0.86 | 0.91 | 53 | empty |
| 2 | 150 | 0.78 | 0.95 | 23 | empty |
| 3 | 94 | 0.76 | 0.97 | 23 | empty |
| 4 | 611 | 0.75 | 0.82 | 68 | NAD |
| 5 | 80 | 0.75 | 0.97 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 2103 Ų buried · 24 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 28 modified (engineered).
Compared structures
- 1QR6 · Human mitochondrial NAD(P)-dependent malic enzyme · the same entry in another collection · chain A against A, TM-score 1.00
- P23368 · AlphaFold monomer V2.0 prediction for NAD-dependent malic enzyme, mitochondrial (P23368) · a predicted model of the same protein · chain A against A, TM-score 0.98
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P23368
- Elsewhere: RCSB PDB 1QR6 · PDBe 1QR6 · UniProt P23368
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.